(E)-2-[(2,4-dichloro-1,3-thiazol-5-yl)methylamino]-3-(thiophen-2-ylmethylideneamino)but-2-enedinitrile

Formula:C13H7N5Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[(2,4-dichloro-1,3-thiazol-5-yl)methylamino]-3-(thiophen-2-ylmethylideneamino)but-2-enedinitrile is a drug-like molecule.

MolName	(E)-2-[(2,4-dichloro-1,3-thiazol-5-yl)methylamino]-3-(thiophen-2-ylmethylideneamino)but-2-enedinitrile
MolecularFormula	C13H7N5Cl2S2
Smiles	N#C/C(/NCc(sc(Cl)n1)c1Cl)=C(/C#N)\N=C\c1cccs1
InChI	InChI=1S/C13H7Cl2N5S2/c14-12-11(22-13(15)20-12)7-19-10(5-17)9(4-16)18-6-8-2-1-3-21-8/h1-3,6,19H,7H2
InChIK	ITRLGIDQHGOELM-UHFFFAOYSA-N
TotalMolweight	368.272
Molweight	368.272
MonoisotopicMass	366.951989
CLogP	3.8215
CLogS	-5.545
H Acceptors	5
H Donors	1
TotalSurfaceArea	270.82
Relative PSA	0.37582
PolarSurfaceArea	141.34
Druglikeness	-2.536
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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